Adenosine,5'-[(3-amino-3-carboxypropyl)methylsulfonio]-5'-deoxy-, inner salt (9CI) | CAS No. 17176-17-9

Adenosine,5'-[(3-amino-3-carboxypropyl)methylsulfonio]-5'-deoxy-, inner salt (9CI)

Basic Information

CAS Number

17176-17-9

Molecular Formula

C15H22N6O5S

Molecular Weight

398.4 g/mol

AD

Basic Physical Properties

Physical State

Powder

Solubility

H2O: soluble100mg/mL

C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O

InChI

InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7?,8-,10-,11-,14-,27?/m1/s1

InChIKey

MEFKEPWMEQBLKI-YDBXVIPQSA-N

LogP

1.33920

Complexity

527

Synonyms & References

English

  • AKOS032953746
  • HY-126126
  • Ademetionine [INN]
  • Methionine, S-adenosyl-, DL-
  • (+-)-5'-((R*)-((R*)-3-Amino-3-carboxypropyl)methylsulfonio)-5'-deoxyadenosine hydroxide, inner salt
  • 17176-17-9
  • 2-Amino-4-((((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)(methyl)sulfonio)butanoate
  • Ademetionine (INN)
  • DTXSID40169160
  • Adenosine, 5'-((3-amino-3-carboxypropyl)methylsulfonio)-5'-deoxy-, inner salt
  • 2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfonio]butanoate
  • Transmetil (TN)
  • SCHEMBL25176
  • Ademetionine [USAN:INN]
  • NS00084451
  • CHEMBL24991
  • S-Adenosyl-DL-methionine
  • D07128
  • CS-0090603
  • F82382
  • MS-26736
  • S-(5'-Adenosyl)-DL-methionine
  • SAM p-toluenesulfonate salt
  • ADENOSYL-L-METHIONINE P-TOLUENESULFONATE, S-(SH)
  • s-(5'-adenosyl)-l-methionine p- toluenesulfonate salt
  • AdoMet SAM p-toluenesulfonate salt
  • Methionine,S-adenosyl-,DL
  • methyl-S-adenosyl-L-Met
  • S-Adenosyl methionione
  • S-ADENOSYL-L-METHIONINE
  • Methionine,S-adenosyl-, DL- (8CI)

MDL Number

MFCD00871208

FAQ

What are the physical and chemical properties of Adenosine,5'-[(3-amino-3-carboxypropyl)methylsulfonio]-5'-deoxy-, inner salt (CAS: 17176-17-9)?

The compound is a crystalline solid with a molecular weight of approximately 552.44 g/mol. It has moderate solubility in water and poor solubility in organic solvents. The compound is highly reactive towards nucleophilic substitution reactions and can form stable complexes with metal ions.

How is Adenosine,5'-[(3-amino-3-carboxypropyl)methylsulfonio]-5'-deoxy-, inner salt (CAS: 17176-17-9) typically synthesized?

The compound is typically synthesized through the condensation of adenosine with methylsulfonate followed by amination and carboxylation. The reaction is catalyzed by a suitable base under mild conditions, leading to a high yield of the target product with good selectivity.

What industries use Adenosine,5'-[(3-amino-3-carboxypropyl)methylsulfonio]-5'-deoxy-, inner salt (CAS: 17176-17-9)?

This compound is used in the pharmaceutical industry for its potential as a drug candidate, particularly in the treatment of certain cardiovascular diseases. It is also used in the polymer industry as a functional monomer for producing specialized polymers with unique properties.

What precautions should be taken when handling Adenosine,5'-[(3-amino-3-carboxypropyl)methylsulfonio]-5'-deoxy-, inner salt (CAS: 17176-17-9)?

When handling this compound, appropriate personal protective equipment (PPE), such as gloves and goggles, should be worn. It should be stored in a well-ventilated area and handled under a fume hood to minimize exposure to vapors. Spills should be cleaned up using appropriate cleaning agents, and the Material Safety Data Sheet (MSDS) should be consulted for detailed instructions.

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